5N2K

Structure of unbound Briakinumab FAb

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9763
Spacegroup name	P 1 21 1
Unit cell lengths	85.250, 172.540, 138.159
Unit cell angles	90.00, 106.16, 90.00

Refinement procedure

Resolution	81.884 - 2.219
R-factor	0.2044
Rwork	0.204
R-free	0.23360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Separate constant and variable domains coming from Modeller
RMSD bond length	0.003
RMSD bond angle	0.598
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((dev_2614: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	82.440	2.340
High resolution limit [Å]	2.219	2.219
Rmeas	0.110	0.917
Number of reflections	178979	26837
<I/σ(I)>	8.85	2.17
Completeness [%]	94.7	96.5
Redundancy	4.09	4.11
CC(1/2)	0.995	0.686

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		287	Microseed matrix screen. Seed stock 22% (w/v) PEG 3350, 40 mM Glycine. Mother liquor 200 mM NH4I, 20% (w/v) PEG 3350.